2-(2-thiophen-3-ylethyl)-1,3-dioxolane

C9H12O2S — CID 71386496

IUPAC2-(2-thiophen-3-ylethyl)-1,3-dioxolane
SMILESc1cc(CCC2OCCO2)cs1
InChIInChI=1S/C9H12O2S/c1(8-3-6-12-7-8)2-9-10-4-5-11-9/h3,6-7,9H,1-2,4-5H2
InChIKeyGHLGDRICJANSCN-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.05
Rot. Bonds3

About 2-(2-thiophen-3-ylethyl)-1,3-dioxolane

2-(2-thiophen-3-ylethyl)-1,3-dioxolane (PubChem CID 71386496) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethyl)-1,3-dioxolane
PubChem CID71386496
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-(2-thiophen-3-ylethyl)-1,3-dioxolane
SMILESc1cc(CCC2OCCO2)cs1
InChIInChI=1S/C9H12O2S/c1(8-3-6-12-7-8)2-9-10-4-5-11-9/h3,6-7,9H,1-2,4-5H2
InChIKeyGHLGDRICJANSCN-UHFFFAOYSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dioxolan-2-yl)-4-thiophen-3-ylbutan-2-one
CID 103543685
3-(2-cyclopropylethyl)thiophene
CID 159324839
2-methyl-3-(2-thiophen-3-ylethyl)oxirane
CID 83927729
3-(2-thiophen-3-ylethyl)azetidine
CID 79451396
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504109
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65351038
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
CID 62805450
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
4-thiophen-3-ylbutan-1-ol
CID 54222621

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethyl)-1,3-dioxolane?
The IUPAC name of 2-(2-thiophen-3-ylethyl)-1,3-dioxolane (CID 71386496) is 2-(2-thiophen-3-ylethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-thiophen-3-ylethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-thiophen-3-ylethyl)-1,3-dioxolane is c1cc(CCC2OCCO2)cs1.
What is the InChIKey of 2-(2-thiophen-3-ylethyl)-1,3-dioxolane?
The InChIKey is GHLGDRICJANSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1(8-3-6-12-7-8)2-9-10-4-5-11-9/h3,6-7,9H,1-2,4-5H2.
What are the key properties of 2-(2-thiophen-3-ylethyl)-1,3-dioxolane?
2-(2-thiophen-3-ylethyl)-1,3-dioxolane has a molecular weight of 184.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethyl)-1,3-dioxolane is sourced from PubChem (CID 71386496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).